Benzene, 1-bromo-4-[(phenylmethyl)sulfonyl]-

Base Information

• Chemical Name: Benzene, 1-bromo-4-[(phenylmethyl)sulfonyl]-
• CAS No.: 100375-03-9
• Molecular Formula: C13H11BrO2S
• Molecular Weight: 311.199
• DSSTox Substance ID: DTXSID50547197
• Nikkaji Number: J676.629C
• Wikidata: Q82425267
• Mol file: 100375-03-9.mol

Synonyms:Benzene, 1-bromo-4-[(phenylmethyl)sulfonyl]-;1-Benzylsulfonyl-4-bromobenzene;100375-03-9;1-(benzylsulfonyl)-4-bromobenzene;SCHEMBL1939695;DTXSID50547197;NQWTVQBNZKSSSC-UHFFFAOYSA-N;1-Bromo-4-(phenylmethanesulfonyl)benzene;A1-05187

Chemical Property of Benzene, 1-bromo-4-[(phenylmethyl)sulfonyl]-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 309.96631
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)Br

Technology Process of Benzene, 1-bromo-4-[(phenylmethyl)sulfonyl]-

There total 25 articles about Benzene, 1-bromo-4-[(phenylmethyl)sulfonyl]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-benzylsulphanyl-4-bromobenzene (53136-21-3) → 1-bromo-4-(phenylmethanesulfonyl)benzene (100375-03-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 23 ℃; for 5h;

DOI:10.1002/chem.201703244

Reference yield: 85.0%

1-benzylsulphanyl-4-bromobenzene (53136-21-3) → 1-bromo-4-(phenylmethanesulfonyl)benzene (100375-03-9) + (R)-benzyl 4'-bromophenyl sulfoxide (176956-93-7)

Guidance literature:

1-benzylsulphanyl-4-bromobenzene; With titanium(IV) isopropylate; (S,S)-hydrobenzoin; In hexane; at 20 ℃; for 0.5h;

With tert.-butylhydroperoxide; In hexane; at 20 ℃; for 48h; Further stages.;

DOI:10.1021/jo025974j

Reference yield: 81.0%

N,N,N--trimethyl--1--phenylmethanaminium trifluoromethanesulfonate (260783-80-0) + sodium 4-bromobenzenesulfinate (34176-08-4) → 1-bromo-4-(phenylmethanesulfonyl)benzene (100375-03-9)

Guidance literature:

With copper(I) oxide; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tetlet.2020.152320

upstream raw materials:

1-benzylsulphanyl-4-bromobenzene

benzyl chloride

4-bromobenzenesulfonyl chloride

S-(4-bromophenyl)-S-benzyl sulfoxide

Downstream raw materials:

(4-phenylmethanesulfonyl-phenyl)-hydrazine

2-(4-phenylmethanesulfonylphenyl)pyridine

(R)-2-methyl-1-[2-(4'-phenylmethanesulfonyl-biphenyl-4-yl)-ethyl]-pyrrolidine

1-bromo-4-[(E)-2-phenylethenesulfonyl]benzene